SCHEMBL6933258

SCHEMBL6933258

CC(C)O[C@@H]1O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.42
CA1 P00915 10/20 0.39
CA2 P00918 10/20 0.39
CA9 Q16790 10/20 0.39
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10258944 0.85 G6PD (0.43) G6PDCA1CA2CA9PRKD3
SCHEMBL6933752 0.77 CA1 (0.30) CA1CA2CA9
SCHEMBL6933251 0.77 CA1 (0.37) G6PDCA1CA2CA9PRKD3
SCHEMBL6933721 0.77 ALDH1A1 (0.43) CA1CA2CA9PRKD3PRKCG
SCHEMBL24894019 0.75 CA1 (0.41) G6PDCA1CA2CA9
SCHEMBL12614421 0.74 G6PD (0.34) G6PDCA1CA2CA9
SCHEMBL19770588 0.73 L3MBTL1 (0.49) CA1CA2CA9PRKD3PRKCG
SCHEMBL16678815 0.73 L3MBTL1 (0.49) CA1CA2CA9PRKD3PRKCG
SCHEMBL14690973 0.73 L3MBTL1 (0.49) CA1CA2CA9PRKD3PRKCG
SCHEMBL24943577 0.73 L3MBTL1 (0.49) CA1CA2CA9PRKD3PRKCG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 G6PD 54/4885CA1 4395/4885CA2 4342/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 G6PD 1977/4885CA1 4790/4885CA2 3819/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.